Table 1 Specification of eight typical configurations for spectral comparison. (For pairwise comparison in 1–5, the experimental spectra with the highest scores were selected as references from the clusters. SMZ in row 4 indicates that the intensity is weighted by the square of m/z as in [20].)
From: Methods for peptide identification by spectral comparison
Setting ID | Intensity transform | Binning method | Reference spectra | ROC area |
|---|---|---|---|---|
1 | logarithm | profiling | individual spectra | 0.993 |
2 | no transform | profiling | individual spectra | 0.992 |
3 | square root w/SMZ | profiling | individual spectra | 0.993 |
4 | square root | direct binning | individual spectra | 0.997 |
5 | square root | profiling | individual spectra | 0.998 |
6 | square root | profiling | theoretical spectra | 0.987 |
7 | square root | profiling | closest neighbors | 0.999 |
8 | square root | profiling | average spectra | 0.999 |